iterations/neb0_image03_iter29_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209831597199E+04 0.20983E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.137633043573E+03 -0.22359E+04 -0.21457E+04 2152 0.262E+02
DAV: 3 -0.464082815510E+03 -0.32645E+03 -0.32135E+03 1864 0.108E+02
DAV: 4 -0.477175938480E+03 -0.13093E+02 -0.13042E+02 1968 0.229E+01
DAV: 5 -0.477653608995E+03 -0.47767E+00 -0.47744E+00 2088 0.385E+00 0.432E+01
DAV: 6 -0.451832983428E+03 0.25821E+02 -0.14675E+02 2008 0.317E+01 0.417E+01
DAV: 7 -0.454250426582E+03 -0.24174E+01 -0.13511E+02 1784 0.146E+01 0.219E+01
DAV: 8 -0.447777763028E+03 0.64727E+01 -0.98021E+00 1848 0.892E+00 0.136E+01
DAV: 9 -0.446565230744E+03 0.12125E+01 -0.15754E+01 2040 0.118E+01 0.120E+01
DAV: 10 -0.445800911633E+03 0.76432E+00 -0.45819E+00 1840 0.371E+00 0.109E+01
DAV: 11 -0.445252783873E+03 0.54813E+00 -0.38068E-01 1992 0.189E+00 0.981E+00
DAV: 12 -0.444582627659E+03 0.67016E+00 -0.80981E+00 2104 0.423E+00 0.103E+01
DAV: 13 -0.444407525281E+03 0.17510E+00 -0.58605E+00 2032 0.355E+00 0.619E+00
DAV: 14 -0.444004459864E+03 0.40307E+00 -0.13042E+00 1880 0.149E+00 0.120E+00
DAV: 15 -0.444038747536E+03 -0.34288E-01 -0.82697E-02 1904 0.630E-01 0.167E+00
DAV: 16 -0.444050208305E+03 -0.11461E-01 -0.22910E-02 1880 0.345E-01 0.141E+00
DAV: 17 -0.444049494556E+03 0.71375E-03 -0.53974E-03 2040 0.189E-01 0.135E+00
DAV: 18 -0.444044766829E+03 0.47277E-02 -0.62365E-03 1968 0.255E-01 0.604E-01
DAV: 19 -0.444051473554E+03 -0.67067E-02 -0.28624E-03 1832 0.125E-01 0.959E-02
DAV: 20 -0.444053732220E+03 -0.22587E-02 -0.55923E-04 1936 0.740E-02 0.241E-01
DAV: 21 -0.444054352413E+03 -0.62019E-03 -0.45050E-04 1920 0.618E-02 0.444E-02
DAV: 22 -0.444055925934E+03 -0.15735E-02 -0.18380E-04 1824 0.355E-02 0.178E-01
DAV: 23 -0.444057403267E+03 -0.14773E-02 -0.46123E-04 1872 0.517E-02 0.138E-01
DAV: 24 -0.444057856142E+03 -0.45287E-03 -0.11814E-04 1768 0.269E-02 0.462E-02
DAV: 25 -0.444058108798E+03 -0.25266E-03 -0.50214E-05 1616 0.188E-02 0.260E-02
DAV: 26 -0.444058304744E+03 -0.19595E-03 -0.51434E-05 1824 0.187E-02 0.509E-02
DAV: 27 -0.444058327102E+03 -0.22358E-04 -0.73439E-06 1096 0.813E-03 0.184E-02
DAV: 28 -0.444058378625E+03 -0.51523E-04 -0.16833E-05 1216 0.117E-02 0.199E-02
DAV: 29 -0.444058401250E+03 -0.22625E-04 -0.31710E-06 968 0.510E-03 0.731E-03
DAV: 30 -0.444058420110E+03 -0.18859E-04 -0.18374E-06 976 0.357E-03 0.200E-03
DAV: 31 -0.444058434469E+03 -0.14360E-04 -0.80697E-07 952 0.232E-03 0.685E-03
DAV: 32 -0.444058447666E+03 -0.13197E-04 -0.57199E-07 1000 0.186E-03 0.186E-03
DAV: 33 -0.444058450944E+03 -0.32780E-05 -0.41864E-07 936 0.184E-03
1 F= -.44405845E+03 E0= -.44404466E+03 d E =-.413596E-01